[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol

C15H15ClO4 — CID 107743505

IUPAC[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1cccc(Cl)c1CO
InChIInChI=1S/C15H15ClO4/c1-19-15-7-10(8-17)5-6-14(15)20-13-4-2-3-12(16)11(13)9-18/h2-7,17-18H,8-9H2,1H3
InChIKeyREUIUUAFVDPYKJ-UHFFFAOYSA-N
MW294.73 g/mol
LogP3.13
Rot. Bonds5

About [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol

[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol (PubChem CID 107743505) has the molecular formula C15H15ClO4 and a molecular weight of 294.73 g/mol. Its IUPAC name is [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
PubChem CID107743505
Molecular FormulaC15H15ClO4
Molecular Weight294.73 g/mol
Exact Mass294.07
IUPAC Name[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1cccc(Cl)c1CO
InChIInChI=1S/C15H15ClO4/c1-19-15-7-10(8-17)5-6-14(15)20-13-4-2-3-12(16)11(13)9-18/h2-7,17-18H,8-9H2,1H3
InChIKeyREUIUUAFVDPYKJ-UHFFFAOYSA-N
XLogP3.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743646
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 61031935
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
5-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743036
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743034
[2-chloro-6-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201825
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743804
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol (CID 107743505) is [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol is COc1cc(CO)ccc1Oc1cccc(Cl)c1CO.
What is the InChIKey of [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol?
The InChIKey is REUIUUAFVDPYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO4/c1-19-15-7-10(8-17)5-6-14(15)20-13-4-2-3-12(16)11(13)9-18/h2-7,17-18H,8-9H2,1H3.
What are the key properties of [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol?
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol has a molecular weight of 294.73 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 107743505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).